2-[[(E)-prop-1-enoxy]methyl]oxocane

C11H20O2 — CID 176604541

IUPAC2-[[(E)-prop-1-enoxy]methyl]oxocane
SMILESC/C=C/OCC1CCCCCCO1
InChIInChI=1S/C11H20O2/c1-2-8-12-10-11-7-5-3-4-6-9-13-11/h2,8,11H,3-7,9-10H2,1H3/b8-2+
InChIKeyABTMZJBOAKLSEV-KRXBUXKQSA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds3

About 2-[[(E)-prop-1-enoxy]methyl]oxocane

2-[[(E)-prop-1-enoxy]methyl]oxocane (PubChem CID 176604541) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[[(E)-prop-1-enoxy]methyl]oxocane.

Molecular Properties

Compound Name2-[[(E)-prop-1-enoxy]methyl]oxocane
PubChem CID176604541
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-[[(E)-prop-1-enoxy]methyl]oxocane
SMILESC/C=C/OCC1CCCCCCO1
InChIInChI=1S/C11H20O2/c1-2-8-12-10-11-7-5-3-4-6-9-13-11/h2,8,11H,3-7,9-10H2,1H3/b8-2+
InChIKeyABTMZJBOAKLSEV-KRXBUXKQSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-prop-1-enoxy]methyl]oxocane?
The IUPAC name of 2-[[(E)-prop-1-enoxy]methyl]oxocane (CID 176604541) is 2-[[(E)-prop-1-enoxy]methyl]oxocane.
What is the SMILES notation for 2-[[(E)-prop-1-enoxy]methyl]oxocane?
The canonical SMILES for 2-[[(E)-prop-1-enoxy]methyl]oxocane is C/C=C/OCC1CCCCCCO1.
What is the InChIKey of 2-[[(E)-prop-1-enoxy]methyl]oxocane?
The InChIKey is ABTMZJBOAKLSEV-KRXBUXKQSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-8-12-10-11-7-5-3-4-6-9-13-11/h2,8,11H,3-7,9-10H2,1H3/b8-2+.
What are the key properties of 2-[[(E)-prop-1-enoxy]methyl]oxocane?
2-[[(E)-prop-1-enoxy]methyl]oxocane has a molecular weight of 184.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-prop-1-enoxy]methyl]oxocane is sourced from PubChem (CID 176604541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).